Evidence map›Paper›PMID 39199420›Full record

ReviewBiomolecules2024

Neglected Tropical Diseases: A Chemoinformatics Approach for the Use of Biodiversity in Anti-Trypanosomatid Drug Discovery.

Marilia Valli, Thiago H Döring, Edgard Marx, Leonardo L G Ferreira, José L Medina-Franco, Adriano D Andricopulo

Abstract readReview
In one paragraph

Review in Biomolecules, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

  1. Article
  2. Article
  3. Anti-ACS omega · 2025
    Article
  4. Article
  5. Article
  6. Review
  7. Pharmaceuticals (Basel, Switzerland) · 2024
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Marilia ValliLaboratory of Medicinal and Computational Chemistry (LQMC), Center for Research and Innovation in Biodiversity and Drug Discovery (CIBFar), Institute of Physics of Sao Carlos, University of Sao Paulo (USP), Av. Joao Dagnone, n° 1100, Sao Carlos 13563-120, SP, Brazil.ORCID 0000-0003-1106-183X
Thiago H DöringLaboratory of Medicinal and Computational Chemistry (LQMC), Center for Research and Innovation in Biodiversity and Drug Discovery (CIBFar), Institute of Physics of Sao Carlos, University of Sao Paulo (USP), Av. Joao Dagnone, n° 1100, Sao Carlos 13563-120, SP, Brazil.
Edgard MarxAgile Knowledge Engineering and Semantic Web (AKSW), Institute of Computer Science, Leipzig University of Applied Sciences (HTWK), 04109 Leipzig, Germany.ORCID 0000-0002-3111-9405
Leonardo L G FerreiraLaboratory of Medicinal and Computational Chemistry (LQMC), Center for Research and Innovation in Biodiversity and Drug Discovery (CIBFar), Institute of Physics of Sao Carlos, University of Sao Paulo (USP), Av. Joao Dagnone, n° 1100, Sao Carlos 13563-120, SP, Brazil.ORCID 0000-0002-6947-0639
José L Medina-FrancoDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autonoma de Mexico (UNAM), Avenida Universidad 3000, Mexico City 04510, Mexico.ORCID 0000-0003-4940-1107
Adriano D AndricopuloLaboratory of Medicinal and Computational Chemistry (LQMC), Center for Research and Innovation in Biodiversity and Drug Discovery (CIBFar), Institute of Physics of Sao Carlos, University of Sao Paulo (USP), Av. Joao Dagnone, n° 1100, Sao Carlos 13563-120, SP, Brazil.ORCID 0000-0002-0457-818X

Funding

National Council for Scientific and 460 Technological Development (CNPq) #2014/50926-0; #465637/2014-0; #382044/2023-1Sao Paulo Research Foundation (FAPESP) #2020/11967-3; #2022/08333-8; #2013/07600-3;
6 · The paper itself

Abstract

The development of new treatments for neglected tropical diseases (NTDs) remains a major challenge in the 21st century. In most cases, the available drugs are obsolete and have limitations in terms of efficacy and safety. The situation becomes even more complex when considering the low number of new chemical entities (NCEs) currently in use in advanced clinical trials for most of these diseases. Natural products (NPs) are valuable sources of hits and lead compounds with privileged scaffolds for the discovery of new bioactive molecules. Considering the relevance of biodiversity for drug discovery, a chemoinformatics analysis was conducted on a compound dataset of NPs with anti-trypanosomatid activity reported in 497 research articles from 2019 to 2024. Structures corresponding to different metabolic classes were identified, including terpenoids, benzoic acids, benzenoids, steroids, alkaloids, phenylpropanoids, peptides, flavonoids, polyketides, lignans, cytochalasins, and naphthoquinones. This unique collection of NPs occupies regions of the chemical space with drug-like properties that are relevant to anti-trypanosomatid drug discovery. The gathered information greatly enhanced our understanding of biologically relevant chemical classes, structural features, and physicochemical properties. These results can be useful in guiding future medicinal chemistry efforts for the development of NP-inspired NCEs to treat NTDs caused by trypanosomatid parasites.

Indexed as

BiodiversityBiological ProductsCheminformaticsDrug DiscoveryNeglected DiseasesAnimalsHumansTrypanocidal AgentsTrypanosomaBiological ProductsTrypanocidal Agentschagas diseasedrug discoveryhuman African trypanosomiasisleishmaniasisnatural productsneglected tropical diseases

Identifiers

PMID39199420
PMCPMC11352992

What Socratic holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.